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Information card for entry 7220861
Preview
| Coordinates | 7220861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 Br N2 O2 |
|---|---|
| Calculated formula | C13 H13 Br N2 O2 |
| SMILES | Brc1ccc(cc1)c1nc([nH]c1C(=O)OCC)C |
| Title of publication | Synthesis of poly-functionalized imidazoles via vinyl azides annulation |
| Authors of publication | Luo, Jing; Chen, Wenteng; Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Yu, Yongping |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 69 |
| Pages of publication | 55808 |
| a | 9.0885 ± 0.0009 Å |
| b | 10.1681 ± 0.0009 Å |
| c | 15.4664 ± 0.001 Å |
| α | 88.451 ± 0.006° |
| β | 87.493 ± 0.007° |
| γ | 66.259 ± 0.009° |
| Cell volume | 1307 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139641 (current) | 2015-06-25 | cif/ Adding structures of 7220861 via cif-deposit CGI script. |
7220861.cif |
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Users of the data should acknowledge the original authors of the
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